Crystallography Open Database

Information card for entry 4339655

Preview

Coordinates	4339655.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	pyridine-4-thione
Formula	C5 H5 N S
Calculated formula	C5 H5 N S
SMILES	S=c1cc[nH]cc1
Title of publication	Coordination of pyridinethiols in gold(I) complexes.
Authors of publication	Räisänen, Minna T; Runeberg, Nino; Klinga, Martti; Nieger, Martin; Bolte, Michael; Pyykkö, Pekka; Leskelä, Markku; Repo, Timo
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9954 - 9960
a	7.214 ± 0.001 Å
b	6.158 ± 0.001 Å
c	11.691 ± 0.002 Å
α	90°
β	90.41 ± 0.03°
γ	90°
Cell volume	519.35 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179499 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339655.cif
117452	2014-06-15	cif/ Adding structures of 4339655 via cif-deposit CGI script.	4339655.cif